Information card for entry 1555934

Structure parameters

• Formula: C24 H21 N O6
• Calculated formula: C24 H21 N O6
• SMILES: C(=O)(OCC)c1c(c(c(C(=O)OCC)[nH]1)C(=O)c1ccccc1)C(=O)c1ccccc1
• Title of publication: Synthesis of Polycarbonyl Pyrroles via K₂S₂O₈-Mediated Oxidative Cyclization of Enamines.
• Authors of publication: Gao, Peng; Wang, Juan; Bai, Zi-Jing; Shen, Li; Yan, Yun-Yun; Yang, De-Suo; Fan, Ming-Jin; Guan, Zheng-Hui
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 6074 - 6077
• a: 7.3578 ± 0.0005 Å
• b: 12.184 ± 0.001 Å
• c: 13.0111 ± 0.001 Å
• α: 86.19 ± 0.002°
• β: 75.871 ± 0.002°
• γ: 74.332 ± 0.002°
• Cell volume: 1089.1 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1744
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No